CAS RN: 819812-04-9

KW-2478

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250910 10mg In stock Shanghai Inquiry
Batchno.20251107 1mg In stock Shanghai Inquiry
Batchno.20250729 25mg Out of stock Inquiry
Batchno.20250204 50mg Out of stock Inquiry
Batchno.20250326 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS819812-04-9
  • Purity/Analytical Methods: >99.0%
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819812-04-9 / 2-[2-ethyl-3,5-dihydroxy-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)benzoyl]phenyl]-N,N-bis(2-methoxyethyl)acetamide

Standard CAS: 819812-04-9 Multi CAS: No

Basic Information

CAS
819812-04-9
Multi CAS
No
Molecular Formula
C30H42N2O9
Molecular Weight
574.700000
Exact Mass
574.289031
InChI
InChI=1S/C30H42N2O9/c1-5-22-23(19-28(35)32(11-13-37-2)12-14-38-3)29(25(34)20-24(22)33)30(36)21-6-7-26(27(18-21)39-4)41-17-10-31-8-15-40-16-9-31/h6-7,18,20,33-34H,5,8-17,19H2,1-4H3
InChIKey
VFUXSYAXEKYYMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.53
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
2
Molar refractivity
152.37
TPSA
127.23

LogP / Solubility

WLOGP
2.27
MLOGP
2.05
XLogP3
2.6
Consensus LogP
2.31
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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